SCHEMBL5872537

SCHEMBL5872537

CCCN(CCC)c1cc(C)nc2c(-c3ccc(N(C)C)nc3)c(C)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29482251 0.85 CRHR1 (1.00) CRHR1
SCHEMBL5600844 0.85 CRHR1 (1.00) CRHR1
Hydrochloric Acid SCHEMBL5872497 0.84 CRHR1 (0.98) CRHR1
Hydrochloric Acid SCHEMBL29601420 0.84 CRHR1 (0.98) CRHR1
SCHEMBL5599550 0.81 CRHR1 (1.00) CRHR1
SCHEMBL5872485 0.80 CRHR1 (0.66) CRHR1
SCHEMBL5872490 0.80 CRHR1 (0.66) CRHR1
SCHEMBL23460066 0.79 CRHR1 (0.90) CRHR1
SCHEMBL29983280 0.78 CRHR1 (0.80) CRHR1
SCHEMBL23459887 0.78 CRHR1 (0.80) CRHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880523-B1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-08-16 EP claimed
US-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2004-07-01 US claimed
US-6664261-B2 Endocrine, psychiatric and neurologic disorders from hypersecretion of corticotropin-releasing factor NEUROCRINE BIOSCIENCES, INC. 2003-12-16 US claimed
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions HAMANAKA ERNEST S (US) 2003-10-23 US claimed
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. 2003-07-03 US claimed
EP-0880523-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP claimed
WO-1997029109-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-14 WO claimed
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2006-11-30 US disclosed
US-7074797-B2 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-11 US disclosed
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists PFIZER INC 2005-08-04 US disclosed
US-20050085479-A1 Mediated central nervous system compositions of a cyclooxygenase-2 selective inhibitor and a corticotropin releasing factor antagonist for the treatment of ischemic disorders or injury PHARMACIA CORPORATION 2005-04-21 US disclosed
US-6777404-B2 SUCH AS 3-((4-METHYL-BENZYL)-(3,6-DIMETHYL-1-(2,4,6-TRIMETHYLPHENYL)-1H-PYRAZOLO -(3,4-D)PYRIMIDIN-4-YL)-AMINO)PROP AN-1-OL FOR TREATING/PREVENTING SYNDROME X; KITS PFIZER INC 2004-08-17 US disclosed
US-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2004-07-01 US disclosed
US-20040082597-A1 Use of CRF antagonists and related compositions PFIZER INC 2004-04-29 US disclosed
US-6664261-B2 Endocrine, psychiatric and neurologic disorders from hypersecretion of corticotropin-releasing factor NEUROCRINE BIOSCIENCES, INC. 2003-12-16 US disclosed
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions HAMANAKA ERNEST S (US) 2003-10-23 US disclosed
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. 2003-07-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists CRHR1, CRHR2, CRH CRHR1 1/4885
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists HTR5A, OPRL1, CRHR1 CRHR1 3/4885
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, OPRL1 CRHR1 1/4885
US-20050085479-A1 Mediated central nervous system compositions of a cyclooxygenase-2 selective inhibitor and a corticotropin releasing factor antagonist for the treatment of ischemic disorders or injury CRH, CRHR2, CRHR1 CRHR1 3/4885
US-20050171095-A1 Combination of CRF antagonists and 5-HT1B receptor antagonists HTR2B, HTR1B, HTR3B CRHR1 16/4885
US-20030199527-A1 Use of corticotropin releasing factor antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885
US-20040082597-A1 Use of CRF antagonists and related compositions CRH, CRHR1, CRHR2 CRHR1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.